3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol

C17H15N7O — CID 54584949

IUPAC3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol
SMILESCNc1ncnc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1
InChIInChI=1S/C17H15N7O/c1-18-15-19-10-20-16(23-15)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-10,25H,1H3,(H,21,22)(H,18,19,20,23)
InChIKeyUNHLMXLXZKTYPJ-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.70
Rot. Bonds4

About 3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol

3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol (PubChem CID 54584949) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol
PubChem CID54584949
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol
SMILESCNc1ncnc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1
InChIInChI=1S/C17H15N7O/c1-18-15-19-10-20-16(23-15)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-10,25H,1H3,(H,21,22)(H,18,19,20,23)
InChIKeyUNHLMXLXZKTYPJ-UHFFFAOYSA-N
XLogP2.70
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol?
The IUPAC name of 3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol (CID 54584949) is 3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol.
What is the SMILES notation for 3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol?
The canonical SMILES for 3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol is CNc1ncnc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1.
What is the InChIKey of 3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol?
The InChIKey is UNHLMXLXZKTYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-18-15-19-10-20-16(23-15)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-10,25H,1H3,(H,21,22)(H,18,19,20,23).
What are the key properties of 3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol?
3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol has a molecular weight of 333.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[4-(methylamino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenol is sourced from PubChem (CID 54584949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).